(3S)-2-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1-oxopropyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C28H27N3O3 MolecularWeight: 453.53228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)CCC(=O)N4CC5=CC=CC=C5CC4C(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)CCC(=O)N4CC5=CC=CC=C5C[C@H]4C(=O)N

InChI

InChI=1S/C28H27N3O3/c1-34-21-12-10-18(11-13-21)27-23(22-8-4-5-9-24(22)30-27)14-15-26(32)31-17-20-7-3-2-6-19(20)16-25(31)28(29)33/h2-13,25,30H,14-17H2,1H3,(H2,29,33)/t25-/m0/s1